ethanedioic acid; [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]-morpholin-4-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-4-piperidyl]-morpholino-methanone; oxalic acid CAS Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidinyl]-(4-morpholinyl)methanone; oxalic acid IUPAC Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone; oxalic acid Traditional Name: [1-(3-ethoxy-4-hydroxy-benzyl)-4-piperidyl]-morpholino-methanone; oxalic acid Formula: C21H30N2O8 MolecularWeight: 438.4715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCOCC3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCOCC3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O4.C2H2O4/c1-2-25-18-13-15(3-4-17(18)22)14-20-7-5-16(6-8-20)19(23)21-9-11-24-12-10-21;3-1(4)2(5)6/h3-4,13,16,22H,2,5-12,14H2,1H3;(H,3,4)(H,5,6)